4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide

C15H22N2O — CID 64917782

IUPAC4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
SMILESCCC(Nc1ccc(C(=O)NC)cc1C)C1CC1
InChIInChI=1S/C15H22N2O/c1-4-13(11-5-6-11)17-14-8-7-12(9-10(14)2)15(18)16-3/h7-9,11,13,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyIMQJZEZBAUCTPY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide

4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide (PubChem CID 64917782) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
PubChem CID64917782
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
SMILESCCC(Nc1ccc(C(=O)NC)cc1C)C1CC1
InChIInChI=1S/C15H22N2O/c1-4-13(11-5-6-11)17-14-8-7-12(9-10(14)2)15(18)16-3/h7-9,11,13,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyIMQJZEZBAUCTPY-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630962
N,3-dimethyl-4-[(3-propan-2-ylcyclobutyl)amino]benzamide
CID 103561516
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide?
The IUPAC name of 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide (CID 64917782) is 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide is CCC(Nc1ccc(C(=O)NC)cc1C)C1CC1.
What is the InChIKey of 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide?
The InChIKey is IMQJZEZBAUCTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-13(11-5-6-11)17-14-8-7-12(9-10(14)2)15(18)16-3/h7-9,11,13,17H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide?
4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 64917782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).